(3S)-N-cyclopropyl-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-cyclopropyl-piperidine-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-cyclopropylpiperidine-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-cyclopropyl-nipecotamide Formula: C21H32N3O+ MolecularWeight: 342.49828

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

C1C[C@@H](CN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C21H31N3O/c25-21(22-19-8-9-19)18-7-4-12-24(16-18)20-10-13-23(14-11-20)15-17-5-2-1-3-6-17/h1-3,5-6,18-20H,4,7-16H2,(H,22,25)/p+1/t18-/m0/s1